2-ethoxy-3-(propan-2-yloxy)pyridine

• ChemBase ID: 290856
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: CC(Oc1cccnc1OCC)C
• Canonical SMILES: CCOc1ncccc1OC(C)C
• InChI: InChI=1S/C10H15NO2/c1-4-12-10-9(13-8(2)3)6-5-7-11-10/h5-8H,4H2,1-3H3
• InChIKey: CRYXZQKEFVBOST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 2-ethoxy-3-isopropoxypyridine
• Synonyms: 2-Ethoxy-3-isopropoxypyridine

Database IDs

• CAS Number: 1330750-22-5
• PubChem SID: 180676387
• PubChem CID: 54758819

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1641438
• LogD (pH = 7.4): 2.16487
• Log P: 2.1648793
• Molar Refractivity: 51.057 cm^3
• Polarizability: 19.994476 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%